Crystallography Open Database

Information card for entry 1518769

Preview

Coordinates	1518769.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H33 N3 O4
Calculated formula	C25 H33 N3 O4
SMILES	[nH]1c(c(c2cccc(c12)C[C@H](O)C(OC)(C)C)/C=C/1NC(=O)[C@@H](NC1=O)C)C(C=C)(C)C
Title of publication	Rubrumazines A-C, Indolediketopiperazines of the Isoechinulin Class from Eurotium rubrum MA-150, a Fungus Obtained from Marine Mangrove-Derived Rhizospheric Soil.
Authors of publication	Meng, Ling-Hong; Du, Feng-Yu; Li, Xiao-Ming; Pedpradab, Patchara; Xu, Gang-Ming; Wang, Bin-Gui
Journal of publication	Journal of natural products
Year of publication	2015
Journal volume	78
Journal issue	4
Pages of publication	909 - 913
a	6.0367 ± 0.0005 Å
b	19.1261 ± 0.0015 Å
c	20.5025 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	2367.2 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.2607
Residual factor for significantly intense reflections	0.1021
Weighted residual factors for significantly intense reflections	0.1588
Weighted residual factors for all reflections included in the refinement	0.2663
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518769.cif
138259	2015-06-05	cif/ Updating files of 1518769 Original log message: Adding full bibliography for 1518769.cif.	1518769.cif
132624	2015-03-03	cif/ Adding structures of 1518769 via cif-deposit CGI script.	1518769.cif